SCHEMBL7935217

SCHEMBL7935217

Cc1ccc(-n2nnnc2SCc2ccc(N)cc2)cc1C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
LMNA P02545 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7924284 0.82 ALDH1A1 (0.57) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL7934295 0.74 ALDH1A1 (0.61) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL9183045 0.72 ALDH1A1 (0.56) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL8186954 0.70 ALDH1A1 (1.00) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL7936744 0.70 ALDH1A1 (0.58) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL25211552 0.69 TP53 (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL29418000 0.69 TP53 (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4159127 0.68 ALPL (0.78) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL11872723 0.68 ALDH1A1 (0.81) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL12225969 0.68 ALDH1A1 (0.54) ALDH1A1LMNATDP1TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034003-A2 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-03-25 WO disclosed